1-(3,5-dimethylpyrazol-1-yl)-N,1-diphenylmethanimine

C18H17N3 — CID 3357892

IUPAC1-(3,5-dimethylpyrazol-1-yl)-N,1-diphenylmethanimine
SMILESCc1cc(C)n(/C(=N\c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C18H17N3/c1-14-13-15(2)21(20-14)18(16-9-5-3-6-10-16)19-17-11-7-4-8-12-17/h3-13H,1-2H3/b19-18-
InChIKeySQWDNYWELKNHIG-HNENSFHCSA-N
MW275.36 g/mol
LogP4.13
Rot. Bonds2

About 1-(3,5-dimethylpyrazol-1-yl)-N,1-diphenylmethanimine

1-(3,5-dimethylpyrazol-1-yl)-N,1-diphenylmethanimine (PubChem CID 3357892) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-N,1-diphenylmethanimine.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-N,1-diphenylmethanimine
PubChem CID3357892
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-N,1-diphenylmethanimine
SMILESCc1cc(C)n(/C(=N\c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C18H17N3/c1-14-13-15(2)21(20-14)18(16-9-5-3-6-10-16)19-17-11-7-4-8-12-17/h3-13H,1-2H3/b19-18-
InChIKeySQWDNYWELKNHIG-HNENSFHCSA-N
XLogP4.13
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-N,1-diphenylmethanimine?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-N,1-diphenylmethanimine (CID 3357892) is 1-(3,5-dimethylpyrazol-1-yl)-N,1-diphenylmethanimine.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-N,1-diphenylmethanimine?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-N,1-diphenylmethanimine is Cc1cc(C)n(/C(=N\c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-N,1-diphenylmethanimine?
The InChIKey is SQWDNYWELKNHIG-HNENSFHCSA-N. The full InChI is InChI=1S/C18H17N3/c1-14-13-15(2)21(20-14)18(16-9-5-3-6-10-16)19-17-11-7-4-8-12-17/h3-13H,1-2H3/b19-18-.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-N,1-diphenylmethanimine?
1-(3,5-dimethylpyrazol-1-yl)-N,1-diphenylmethanimine has a molecular weight of 275.36 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-N,1-diphenylmethanimine is sourced from PubChem (CID 3357892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).